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- Title
Effect of the Chalcogenide Element Doping on the Electronic Properties of CoFeAl Heusler Alloys.
- Authors
Huang, Ting; Cheng, Xiao-min; Guan, Xia-wei; Miao, Xiang-shui
- Abstract
The electronic properties of the typical Heusler compound CoFeAl with chalcogenide element doping were investigated by means of first principles calculations within the local spin-density approximation (LSDA) + Hubbard U parameter (U). The calculations indicate that, only when 25% of the number of Al atoms is substituted by the chalcogenide element, the chalcogenide element-doped CoFeAl shows the half metallic properties. The Fermi energy ( E) of the 25% chalcogenide element-doped CoFeAl is located in the middle of the gap of the minority states instead of around the top of the valence band as in CoFeAl. Moreover, the band gap of 25% Te-doped CoFeAl (0.80 eV) is wider than that of CoFeAl (0.74 eV). These improved electronic structures will make 25% chalcogenide element-doped CoFeAl more stable␣against temperature variation. Therefore, the expected excellent stability of the 25% chalcogenide element-doped CoFeAl make it more suitable␣for spintronic applications than CoFeAl.
- Subjects
HEUSLER alloys; CHALCOGENIDES; IRON-cobalt alloys; IRON-aluminum alloys; SEMICONDUCTOR doping profiles; ELECTRIC properties; BAND gaps
- Publication
Journal of Electronic Materials, 2016, Vol 45, Issue 2, p1028
- ISSN
0361-5235
- Publication type
Article
- DOI
10.1007/s11664-015-4268-5